2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanol

C18H21NO2 — CID 115829169

IUPAC2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanol
SMILESCCCOc1cncc(C(O)c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C18H21NO2/c1-2-8-21-17-10-16(11-19-12-17)18(20)15-7-6-13-4-3-5-14(13)9-15/h6-7,9-12,18,20H,2-5,8H2,1H3
InChIKeyNJAPCLUBSFZNJY-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.44
Rot. Bonds5

About 2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanol

2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanol (PubChem CID 115829169) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanol
PubChem CID115829169
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanol
SMILESCCCOc1cncc(C(O)c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C18H21NO2/c1-2-8-21-17-10-16(11-19-12-17)18(20)15-7-6-13-4-3-5-14(13)9-15/h6-7,9-12,18,20H,2-5,8H2,1H3
InChIKeyNJAPCLUBSFZNJY-UHFFFAOYSA-N
XLogP3.44
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-inden-5-yl-(3-propoxyphenyl)methanol
CID 62919178
2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanone
CID 115794025
(2-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanol
CID 115829191
1-(5-propoxy-3-pyridinyl)butane-1,2-diol
CID 103454750
(2,5-dimethylfuran-3-yl)-(5-propoxy-3-pyridinyl)methanol
CID 115829129
4-ethoxy-1-(5-propoxy-3-pyridinyl)butan-1-ol
CID 105121586
2-ethyl-1-(5-propoxy-3-pyridinyl)butane-1,2-diol
CID 103449515
(2-chloro-3-fluorophenyl)-(5-propoxy-3-pyridinyl)methanol
CID 115829228
(2-chloro-6-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanol
CID 104817389
2,3-dihydro-1H-inden-5-yl-(3,4-dimethylphenyl)methanol
CID 61101012
(3-chloro-4-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanol
CID 103408210
2-methyl-2-methylsulfonyl-1-(5-propoxy-3-pyridinyl)propan-1-ol
CID 115829152

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanol?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanol (CID 115829169) is 2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanol.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanol?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanol is CCCOc1cncc(C(O)c2ccc3c(c2)CCC3)c1.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanol?
The InChIKey is NJAPCLUBSFZNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-8-21-17-10-16(11-19-12-17)18(20)15-7-6-13-4-3-5-14(13)9-15/h6-7,9-12,18,20H,2-5,8H2,1H3.
What are the key properties of 2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanol?
2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanol has a molecular weight of 283.37 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanol is sourced from PubChem (CID 115829169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).